SCHEMBL986887

SCHEMBL986887

CN(C)Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3c(F)ccc(F)c3F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
FYN P06241 2/20 0.35
ACHE P22303 1/20 0.35
LRRK2 Q5S007 5/20 0.34
TLR7 Q9NYK1 5/20 0.34
ATR Q13535 1/20 0.34
VRK2 Q86Y07 1/20 0.34
MAP4K4 O95819 1/20 0.33
VRK1 Q99986 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL982764 0.93 TLR7 (0.36) AURKACDK2TTKNEK2PLK1
SCHEMBL983107 0.91 NEK2 (0.39) AURKACDK2TTKNEK2PLK1
SCHEMBL986844 0.91 TLR7 (0.37) AURKACDK2TTKNEK2PLK1
SCHEMBL986090 0.87 AURKA (0.36) AURKACDK2TTKNEK2PLK1
SCHEMBL985525 0.87 KCNN4 (0.40) AURKACDK2TTKNEK2PLK1
SCHEMBL4399399 0.86 FYN (0.37) AURKACDK2TTKNEK2PLK1
SCHEMBL985215 0.85 MAP4K4 (0.38) AURKACDK2TTKNEK2PLK1
SCHEMBL983096 0.84 ACHE (0.41) AURKACDK2TTKNEK2PLK1
SCHEMBL986569 0.83 TAAR1 (0.39) AURKACDK2TTKNEK2PLK1
SCHEMBL986807 0.83 LRRK2 (0.43) ACHELRRK2TLR7MAP4K4HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 AURKA 287/4885CDK2 149/4885TTK 167/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 AURKA 287/4885CDK2 149/4885TTK 167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.